Hydrochloric Acid → Hydrochloric Acid

HRID 2140115Notes

Reaction equation

HRID 2140115 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][n:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:12])[cH:10][s:11]2.[Cl:31][CH2:32][CH2:33][N:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[ClH:30].[K+:44].[K+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:1][n:2]1[c:3]([S:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25]([O:28][CH2:32][CH2:33][N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:12])[cH:10][s:11]2.[ClH:31]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 748271-(2-Chloroethyl)piperidineHCID 189188093,5-dimethyl-2-[4-(4-hydroxybenzoyl)benzylthio]thieno[2,3-d]pyrimidin-4(3H)-one

Product 2

HCID 313Hydrochloric AcidHCID 189191613,5-Dimethyl-2-[[4-[4-(2-piperidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Sources & evidence

ORD record
ord-8819b43ac880499da48d298c54db4c12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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